Bicarbonate Ion → 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxo-N-propylazepane-1-carboxamide

HRID 675401

Reaction equation

HRID 675401 reaction equation
[Cl:26][C:27]([Cl:28])([O:29][C:30](=[O:31])[O:32][C:33]([Cl:34])([Cl:35])[Cl:36])[Cl:37].[Cl:43][c:44]1[cH:45][cH:46][c:47]2[c:48]([N:55]3[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]3)[cH:49][c:50]([NH2:54])[n:51][c:52]2[cH:53]1.[F:19][C:20]([F:21])([F:22])[C:23]([OH:24])=[O:25].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:1]=[C:2]1[N:3]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH3:18])[CH2:4][CH2:5][CH2:6][CH2:7][CH:8]1[NH:9][C:10]([OH:11])=[O:12]>>[O:1]=[C:2]1[N:3]([C:13](=[O:14])[NH:15][CH2:16][CH2:17][CH3:18])[CH2:4][CH2:5][CH2:6][CH2:7][CH:8]1[NH:9][C:10](=[O:12])[N:58]1[CH2:57][CH2:56][N:55]([c:48]2[c:47]3[cH:46][cH:45][c:44]([Cl:43])[cH:53][c:52]3[n:51][c:50]([NH2:54])[cH:49]2)[CH2:60][CH2:59]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 94429TriphosgeneHCID 211017487-Chloro-4-(1-piperazinyl)-2-quinolinamineHCID 178457909[2-oxo-1-(propylcarbamoyl)azepan-3-yl]carbamic acid

Product 1

HCID 211015363-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxo-N-propylazepane-1-carboxamide

Sources & evidence

ORD record
ord-aa61b7c4934c4b91abc8b35a2c78b3fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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